Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.49 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14728368 | 1.00 | S1PR1 (0.54) | S1PR1ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL7603937 | 0.86 | HRH3 (0.49) | CYP3A4TSHRHRH3HRH4QPCT | |
| SCHEMBL7602789 | 0.86 | HRH3 (0.49) | CYP3A4TSHRHRH3HRH4QPCT | |
| SCHEMBL3510791 | 0.85 | S1PR1 (0.56) | S1PR1ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL22901902 | 0.83 | ALDH1A1 (0.56) | S1PR1ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL18697423 | 0.79 | CYP3A4 (0.56) | ALDH1A1CYP3A4NFKB1HRH3HRH4 | |
| SCHEMBL12982022 | 0.79 | CYP3A4 (0.56) | ALDH1A1CYP3A4NFKB1HRH3HRH4 | |
| SCHEMBL17189358 | 0.79 | CYP3A4 (0.56) | ALDH1A1CYP3A4NFKB1HRH3HRH4 | |
| SCHEMBL888666 | 0.75 | ALDH1A1 (0.61) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 | |
| SCHEMBL8918572 | 0.73 | ALDH1A1 (0.63) | ALDH1A1CYP3A4GABRA1TSHRNFKB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011080102-A2 | GLP-1 ANALOGUES AND DERIVATIVES | NOVO NORDISK A/S (DK) | 2011-07-07 | — | — | WO | disclosed |